2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile
TL;DR: 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile (CAS 85896-79-3) is a chemical compound with molecular formula C18H24FN and molecular weight 273.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4-(4-pentylcyclohexyl)benzonitrile
Also Known As: 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile, 2-Fluoro-4- -benzonitrile, 2-FLUORO-4-(TRANS-4-PENTYLCYCLOHEXYL)-BENZONITRILE, 4-(4-Pentylcyclohexyl)-2-fluorobenzonitrile, 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile #
| Molecular Formula | C18H24FN |
|---|---|
| Molecular Weight | 273.19 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.18927 |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 85896-79-3 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C2=CC(=C(C=C2)C#N)F |
| InChIKey | OMMGVKXMWFSMJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile (CAS 85896-79-3), with molecular formula C18H24FN and molecular weight 273.19 g/mol. IUPAC: 2-fluoro-4-(4-pentylcyclohexyl)benzonitrile.
Chemical Property Profile of 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile
Property Insights of 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile
The XLogP value of 6.7 indicates that 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile?
The CAS number of 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile is 85896-79-3.
What is the molecular formula of 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile?
The molecular formula of 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile is C18H24FN.
What is the molecular weight of 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile?
The molecular weight of 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile is 273.19 g/mol.
Where can I buy 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile?
You can request a quote for 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4-(4-pentylcyclohexyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.